SCHEMBL4969552

SCHEMBL4969552

O=C(Nc1ccc(Cl)c(Nc2ccccc2)c1)c1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 4/20 0.60
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPK1 P28482 2/20 0.60
STAT3 P40763 1/20 0.60
KCNQ3 O43525 7/20 0.58
KCNQ2 O43526 7/20 0.58
KCNE1 P15382 5/20 0.57
KCNQ1 P51787 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 3/20 0.55
HTT P42858 2/20 0.54
MITF O75030 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4969173 0.91 KCNQ3 (0.63) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL4972665 0.89 KCNQ3 (0.66) MAPTSMN1; SMN2KCNQ3KCNQ2KCNE1
SCHEMBL403184 0.89 KCNQ3 (0.67) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL4967489 0.88 KMT2A (0.63) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL404883 0.83 MAPT (0.72) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL2306301 0.83 RAB9A (0.76) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL403003 0.82 KCNQ3 (0.68) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3134896 0.82 KCNQ3 (0.78) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL402589 0.81 KCNQ3 (0.71) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL404373 0.81 KCNQ3 (0.58) MAPTSMN1; SMN2LMNAALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed